SCHEMBL21472825

SCHEMBL21472825

CC(C)(C)CN1CCC(CN2CCNCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
GNAO1 P09471 1/20 0.37
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR4 Q13639 1/20 0.33
GBA1 P04062 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25133541 0.90 GNAO1 (0.36) ACHEGNAO1SIGMAR1HTR4GBA1
SCHEMBL25133546 0.90 GNAO1 (0.36) ACHEGNAO1SIGMAR1HTR4GBA1
SCHEMBL25133540 0.90 GNAO1 (0.36) ACHEGNAO1SIGMAR1HTR4GBA1
SCHEMBL23919055 0.87 CACNA2D1 (0.40) ACHEGNAO1CHRM5ADRA2CHTR4
SCHEMBL23919065 0.84 GNAO1 (0.43) ACHEGNAO1CHRM5ADRA2CSIGMAR1
SCHEMBL25133512 0.84 CHRM5 (0.42) ACHEGNAO1CHRM5ADRA2CHTR4
SCHEMBL25133082 0.84 SIGMAR1 (0.36) SIGMAR1GBA1
SCHEMBL26972273 0.83 ACHE (0.42) ACHECHRM5ADRA2C
SCHEMBL24079231 0.83 GNAO1 (0.36) GNAO1SIGMAR1ALDH1A1HTT
SCHEMBL1104721 0.82 SIGMAR1 (0.44) CHRM5ADRA2CSIGMAR1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL ACHE 2845/4885GNAO1 3206/4885CHRM5 4497/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 ACHE 2086/4885GNAO1 2111/4885CHRM5 3757/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL ACHE 2845/4885GNAO1 3206/4885CHRM5 4497/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.